3-[[3-(1,4-diazepan-1-ylcarbonyl)-4-fluoranyl-phenyl]methyl]-5-propan-2-yl-1H-pyridazin-6-one

Systemtic Name: 3-[[3-(1,4-diazepan-1-ylcarbonyl)-4-fluoranyl-phenyl]methyl]-5-propan-2-yl-1H-pyridazin-6-one Openeye Name: 3-[[3-(1,4-diazepane-1-carbonyl)-4-fluoro-phenyl]methyl]-5-isopropyl-1H-pyridazin-6-one CAS Name: 3-[[3-[1,4-diazepan-1-yl(oxo)methyl]-4-fluorophenyl]methyl]-5-propan-2-yl-1H-pyridazin-6-one IUPAC Name: 3-[[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]methyl]-5-propan-2-yl-1H-pyridazin-6-one Traditional Name: 3-[3-(1,4-diazepane-1-carbonyl)-4-fluoro-benzyl]-5-isopropyl-1H-pyridazin-6-one Formula: C20H25FN4O2 MolecularWeight: 372.436503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NNC1=O)CC2=CC(=C(C=C2)F)C(=O)N3CCCNCC3

Isomeric SMILES

CC(C)C1=CC(=NNC1=O)CC2=CC(=C(C=C2)F)C(=O)N3CCCNCC3

InChI

InChI=1S/C20H25FN4O2/c1-13(2)16-12-15(23-24-19(16)26)10-14-4-5-18(21)17(11-14)20(27)25-8-3-6-22-7-9-25/h4-5,11-13,22H,3,6-10H2,1-2H3,(H,24,26)